title: RMCSANS--modelling the inter-particle term of small angle scattering data via the reverse Monte Carlo method.
abstract: A new reverse Monte Carlo (RMC) method has been developed for creating three-dimensional structures in agreement with small angle scattering data. Extensive tests, using computer generated quasi-experimental data for aggregation processes via constrained RMC and Langevin molecular dynamics, were performed. The software is capable of fitting several consecutive time frames of scattering data, and movie-like visualization of the structure (and its evolution) either during or after the simulation is also possible.
authors.affiliation: Research Institute for Solid State Physics and Optics, Hungarian Academy of Sciences, H-1525, Budapest, PO Box 49, Hungary.
authors.forename: O
authors.initials: O
authors.lastname: Gereben
authors.forename: L
authors.initials: L
authors.lastname: Pusztai
authors.forename: R L
authors.initials: RL
authors.lastname: McGreevy
mesh_terms: D000465:Algorithms; D003198:Computer Simulation; D008958:Models, Molecular; D056004:Molecular Dynamics Simulation; D009010:Monte Carlo Method; D053838:Scattering, Small Angle; D014961:X-Ray Diffraction